3-Bromo-5-nitroaniline

• CAS: 55215-57-1
• Catalog Number: ACM55215571
• Category: Bromine Series
• Molecular Weight: 217.020100 [g/mol]
• Molecular Formula: C6H5BrN2O2
• Synonyms: 3-bromo-5-nitroaniline, 55215-57-1, AR-BROMO-AR-NITROBENZENAMINE, AC1L2C1G, SureCN1863964, CTK8B7531, ANW-57588, AKOS016001410, LS10065, QC-8996, AK-64496, KB-30448, FT-0686962, 63460-07-1
• IUPAC Name: 3-bromo-5-nitroaniline
• Canonical SMILES: C1=C(C=C(C=C1[N+](=O)[O-])Br)N
• InChI Key: GWLFQPJKTXGLGD-UHFFFAOYSA-N
• Exact Mass: 215.95300
• H-Bond Acceptor: 3
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of 3-Bromo-5-nitroaniline?

The molecular formula of 3-Bromo-5-nitroaniline is C6H5BrN2O2.

When was 3-Bromo-5-nitroaniline created and modified in PubChem?

3-Bromo-5-nitroaniline was created on August 8, 2005, and last modified on December 2, 2023.

What is the IUPAC name of 3-Bromo-5-nitroaniline?

The IUPAC name of 3-Bromo-5-nitroaniline is 3-bromo-5-nitroaniline.

What is the InChI of 3-Bromo-5-nitroaniline?

The InChI of 3-Bromo-5-nitroaniline is InChI=1S/C6H5BrN2O2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H,8H2.

What is the InChIKey of 3-Bromo-5-nitroaniline?

The InChIKey of 3-Bromo-5-nitroaniline is GWLFQPJKTXGLGD-UHFFFAOYSA-N.

What is the Canonical SMILES of 3-Bromo-5-nitroaniline?

The Canonical SMILES of 3-Bromo-5-nitroaniline is C1=C(C=C(C=C1[N+](=O)[O-])Br)N.

How is the XLogP3 value of 3-Bromo-5-nitroaniline computed?

The XLogP3 value of 3-Bromo-5-nitroaniline is computed by XLogP3 3.0.

What is the hydrogen bond acceptor count of 3-Bromo-5-nitroaniline?

The hydrogen bond acceptor count of 3-Bromo-5-nitroaniline is 3.

What is the topological polar surface area of 3-Bromo-5-nitroaniline?

The topological polar surface area of 3-Bromo-5-nitroaniline is 71.8Ų.

Is the compound canonicalized in PubChem?

Yes, the compound 3-Bromo-5-nitroaniline is canonicalized in PubChem.